(5R)-N-tert-butyl-5-phenyl-4,5-dihydro-1,3-thiazole-2-carboxamide

C14H18N2OS — CID 70964527

IUPAC(5R)-N-tert-butyl-5-phenyl-4,5-dihydro-1,3-thiazole-2-carboxamide
SMILESCC(C)(C)NC(=O)C1=NC[C@@H](c2ccccc2)S1
InChIInChI=1S/C14H18N2OS/c1-14(2,3)16-12(17)13-15-9-11(18-13)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyMIOBMYBKFVGSQY-NSHDSACASA-N
MW262.38 g/mol
LogP2.79
Rot. Bonds2

About (5R)-N-tert-butyl-5-phenyl-4,5-dihydro-1,3-thiazole-2-carboxamide

(5R)-N-tert-butyl-5-phenyl-4,5-dihydro-1,3-thiazole-2-carboxamide (PubChem CID 70964527) has the molecular formula C14H18N2OS and a molecular weight of 262.38 g/mol. Its IUPAC name is (5R)-N-tert-butyl-5-phenyl-4,5-dihydro-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name(5R)-N-tert-butyl-5-phenyl-4,5-dihydro-1,3-thiazole-2-carboxamide
PubChem CID70964527
Molecular FormulaC14H18N2OS
Molecular Weight262.38 g/mol
Exact Mass262.11
IUPAC Name(5R)-N-tert-butyl-5-phenyl-4,5-dihydro-1,3-thiazole-2-carboxamide
SMILESCC(C)(C)NC(=O)C1=NC[C@@H](c2ccccc2)S1
InChIInChI=1S/C14H18N2OS/c1-14(2,3)16-12(17)13-15-9-11(18-13)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyMIOBMYBKFVGSQY-NSHDSACASA-N
XLogP2.79
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5R)-N-tert-butyl-5-phenyl-4,5-dihydro-1,3-thiazole-2-carboxamide?
The IUPAC name of (5R)-N-tert-butyl-5-phenyl-4,5-dihydro-1,3-thiazole-2-carboxamide (CID 70964527) is (5R)-N-tert-butyl-5-phenyl-4,5-dihydro-1,3-thiazole-2-carboxamide.
What is the SMILES notation for (5R)-N-tert-butyl-5-phenyl-4,5-dihydro-1,3-thiazole-2-carboxamide?
The canonical SMILES for (5R)-N-tert-butyl-5-phenyl-4,5-dihydro-1,3-thiazole-2-carboxamide is CC(C)(C)NC(=O)C1=NC[C@@H](c2ccccc2)S1.
What is the InChIKey of (5R)-N-tert-butyl-5-phenyl-4,5-dihydro-1,3-thiazole-2-carboxamide?
The InChIKey is MIOBMYBKFVGSQY-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N2OS/c1-14(2,3)16-12(17)13-15-9-11(18-13)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (5R)-N-tert-butyl-5-phenyl-4,5-dihydro-1,3-thiazole-2-carboxamide?
(5R)-N-tert-butyl-5-phenyl-4,5-dihydro-1,3-thiazole-2-carboxamide has a molecular weight of 262.38 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-tert-butyl-5-phenyl-4,5-dihydro-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 70964527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).